SCHEMBL20140336

SCHEMBL20140336

Cc1ccc(CC2CCN(c3ccccc3C#N)CC2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CHRM4 P08173 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GFER P55789 1/20 0.42
DRD4 P21917 5/20 0.41
DRD2 P14416 3/20 0.41
ALDH1A1 P00352 3/20 0.41
DRD3 P35462 2/20 0.41
KDM4E B2RXH2 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20141292 0.89 BDKRB1 (0.47) CHRM4CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL20140782 0.85 CHRM4 (0.44) MAPTCHRM4MEN1KMT2ADRD4
SCHEMBL20139955 0.83 KDM4E (0.52) CHRM4DRD4DRD2ALDH1A1DRD3
SCHEMBL20156971 0.82 CHRM4 (0.41) MAPTCHRM4MEN1KMT2AHTT
SCHEMBL20140897 0.80 MTOR (0.45) CYP2C9CYP2C19HTR2BMAPK14HTT
SCHEMBL20129698 0.79 MTOR (0.49) CHRM4DRD4DRD2ALDH1A1DRD3
SCHEMBL20140648 0.76 PRMT5 (0.42) DRD4DRD2ALDH1A1DRD3KDM4E
SCHEMBL20141103 0.75 MYC (0.57) MEN1KMT2AHTTSMN1; SMN2GFER
SCHEMBL20140775 0.74 DRD4 (0.51) HTR2BMEN1KMT2ADRD4HTR2A
SCHEMBL20129637 0.74 MTOR (0.64) CHRM4SMN1; SMN2DRD4DRD2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed